Planar Tetracoordinate Oxygen Atoms
Planar tetracoordinate oxygen (ptO) atoms are rare, with only a few examples confirmed to date. This study systematically investigates 515 potential structures, formulated as OX<sub>n</sub>Y<sub>m</sub> <sup>q</sup>, where n+m=4, q ranging from +2 to -2, and following the 18-valence electron rule. High-level ab initio calculations identified 35 global minima containing a ptO atom, predominantly stabilized by Group 13 elements. Bonding analysis reveals a spectrum of interactions, from covalent to polar ionic, and confirms high electron delocalization. The findings challenge traditional bonding paradigms, improve the understanding of ptO-containing clusters, and propose viable ptO clusters for gas-phase detection, advancing the study of unconventional oxygen bonding.
Authors
- Filiberto Ortíz‐Chi (ORCID: https://orcid.org/0000-0002-2859-7633)
- Gabriela Castillo-Toraya
- Gabriel Merino (ORCID: https://orcid.org/0000-0003-1961-8321)
- Mesías Orozco‐Ic (ORCID: https://orcid.org/0000-0001-7579-0607)
- Jorge Barroso (ORCID: https://orcid.org/0000-0002-9715-8693)
- Luiz Leyva-Parra
Institutions
- Universidad de Santiago de Chile (CL)
- Secretaría de Investigación, Innovación y Educación Superior (MX)
- Universidad Central de Chile (CL)
- Universidad Marista de Mérida (MX)
- Instituto Politécnico Nacional (MX)
- Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional (MX)
- Clemson University (US)
- Universidad Nacional Autónoma de México (MX)
Publication Details
- Journal
- Angewandte Chemie International Edition
- Published
- 2025-02-21
- DOI
- https://doi.org/10.1002/anie.202500292
- Citations
- 19
- Primary Topic
- Atomic and Subatomic Physics Research
- Type
- article
- Field-Weighted Citation Impact
- 23.69
Funders
- National Science Foundation
- Clemson University